3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

C17H23N3O4 — CID 110288314

IUPAC3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCOc1ccc(C(=O)NC(CC(C)C)c2nnc(C)o2)cc1OC
InChIInChI=1S/C17H23N3O4/c1-10(2)8-13(17-20-19-11(3)24-17)18-16(21)12-6-7-14(22-4)15(9-12)23-5/h6-7,9-10,13H,8H2,1-5H3,(H,18,21)
InChIKeyYRMSXSHEUUUNJI-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.91
Rot. Bonds7

About 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (PubChem CID 110288314) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
PubChem CID110288314
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCOc1ccc(C(=O)NC(CC(C)C)c2nnc(C)o2)cc1OC
InChIInChI=1S/C17H23N3O4/c1-10(2)8-13(17-20-19-11(3)24-17)18-16(21)12-6-7-14(22-4)15(9-12)23-5/h6-7,9-10,13H,8H2,1-5H3,(H,18,21)
InChIKeyYRMSXSHEUUUNJI-UHFFFAOYSA-N
XLogP2.91
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110627464
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187293
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
3-(difluoromethoxy)-4-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55921720
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid
CID 23798884
N-(1-bromo-3-methylbutan-2-yl)-3,4-dimethoxybenzamide
CID 113275998

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (CID 110288314) is 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is COc1ccc(C(=O)NC(CC(C)C)c2nnc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The InChIKey is YRMSXSHEUUUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)8-13(17-20-19-11(3)24-17)18-16(21)12-6-7-14(22-4)15(9-12)23-5/h6-7,9-10,13H,8H2,1-5H3,(H,18,21).
What are the key properties of 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is sourced from PubChem (CID 110288314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).